REMARK Name = BDB063439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.833 -2.048 2.762 0.00 0.00 +0.044 C ATOM 2 C LIG 1 4.549 -1.807 2.017 0.00 0.00 -0.040 A ATOM 3 C LIG 1 4.465 -1.008 0.862 0.00 0.00 +0.022 A ATOM 4 C LIG 1 3.204 -0.789 0.272 0.00 0.00 +0.035 A ATOM 5 C LIG 1 2.026 -1.369 0.768 0.00 0.00 +0.034 A ATOM 6 C LIG 1 2.142 -2.196 1.883 0.00 0.00 +0.023 A ATOM 7 C LIG 1 3.378 -2.411 2.502 0.00 0.00 +0.006 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 5.622 -0.372 0.226 0.00 0.00 +0.140 A ATOM 9 N LIG 1 6.806 -1.018 -0.035 0.00 0.00 -0.338 N ATOM 10 H LIG 1 7.000 -1.984 0.182 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 7.661 -0.144 -0.656 0.00 0.00 +0.067 A ATOM 12 C LIG 1 6.916 1.022 -0.806 0.00 0.00 +0.102 A ATOM 13 C LIG 1 7.520 2.126 -1.435 0.00 0.00 +0.064 A ATOM 14 C LIG 1 8.851 2.020 -1.879 0.00 0.00 +0.015 A ATOM 15 C LIG 1 9.565 0.832 -1.709 0.00 0.00 +0.003 A ATOM 16 C LIG 1 8.981 -0.281 -1.095 0.00 0.00 +0.028 A ATOM 17 N LIG 1 5.666 0.857 -0.251 0.00 0.00 -0.227 NA BRANCH 13 18 ATOM 18 C LIG 1 6.766 3.374 -1.646 0.00 0.00 +0.244 C ATOM 19 O LIG 1 5.648 3.403 -2.137 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 7.410 4.526 -1.275 0.00 0.00 -0.325 N ATOM 21 H LIG 1 8.189 4.499 -0.633 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 6.835 5.359 -1.277 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 N LIG 1 0.824 -1.115 0.100 0.00 0.00 -0.284 N ATOM 24 H LIG 1 0.854 -0.431 -0.641 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 -0.497 -1.509 0.295 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -1.379 -0.960 -0.556 0.00 0.00 -0.199 NA ATOM 27 C LIG 1 -2.687 -1.271 -0.437 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -3.109 -2.169 0.526 0.00 0.00 +0.064 A ATOM 29 C LIG 1 -2.144 -2.689 1.350 0.00 0.00 +0.118 A ATOM 30 N LIG 1 -0.845 -2.374 1.256 0.00 0.00 -0.223 NA BRANCH 27 31 ATOM 31 N LIG 1 -3.642 -0.724 -1.339 0.00 0.00 -0.288 N ATOM 32 C LIG 1 -3.046 0.198 -2.315 0.00 0.00 +0.137 C BRANCH 31 33 ATOM 33 C LIG 1 -4.965 -0.310 -0.981 0.00 0.00 +0.037 A ATOM 34 C LIG 1 -5.209 0.320 0.267 0.00 0.00 +0.053 A ATOM 35 C LIG 1 -6.551 0.671 0.488 0.00 0.00 +0.095 A ATOM 36 C LIG 1 -7.565 0.398 -0.499 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -8.759 0.853 0.005 0.00 0.00 +0.044 A ATOM 38 N LIG 1 -8.424 1.375 1.233 0.00 0.00 -0.270 N ATOM 39 C LIG 1 -9.318 1.999 2.182 0.00 0.00 +0.172 C ATOM 40 C LIG 1 -10.142 0.861 -0.530 0.00 0.00 +0.066 C ATOM 41 C LIG 1 -7.377 -0.213 -1.734 0.00 0.00 +0.013 A ATOM 42 N LIG 1 -7.116 1.269 1.548 0.00 0.00 -0.171 NA ATOM 43 C LIG 1 -6.023 -0.556 -1.931 0.00 0.00 +0.024 A ENDBRANCH 31 33 ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 5 23 TORSDOF 6